4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-methylphenyl)-5-phenyl-2-thiazolyl]benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzamide Formula: C29H25N5O3S2 MolecularWeight: 555.6705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C29H25N5O3S2/c1-21-9-11-22(12-10-21)26-27(23-7-3-2-4-8-23)38-29(32-26)33-28(35)24-13-15-25(16-14-24)39(36,37)34(19-5-17-30)20-6-18-31/h2-4,7-16H,5-6,19-20H2,1H3,(H,32,33,35)